3-[(2,6-dimethyl-4-methylsulfonyl-phenyl)amino]-1-(methoxymethyl)-1-(3-methoxypropyl)-5-methyl-pyrazin-1-ium-2-one

Systemtic Name: 3-[(2,6-dimethyl-4-methylsulfonyl-phenyl)amino]-1-(methoxymethyl)-1-(3-methoxypropyl)-5-methyl-pyrazin-1-ium-2-one Openeye Name: 3-(2,6-dimethyl-4-methylsulfonyl-anilino)-1-(methoxymethyl)-1-(3-methoxypropyl)-5-methyl-pyrazin-1-ium-2-one CAS Name: 3-(2,6-dimethyl-4-methylsulfonylanilino)-1-(methoxymethyl)-1-(3-methoxypropyl)-5-methyl-2-pyrazin-1-iumone IUPAC Name: 3-(2,6-dimethyl-4-methylsulfonylanilino)-1-(methoxymethyl)-1-(3-methoxypropyl)-5-methylpyrazin-1-ium-2-one Traditional Name: 3-(4-mesyl-2,6-dimethyl-anilino)-1-(methoxymethyl)-1-(3-methoxypropyl)-5-methyl-pyrazin-1-ium-2-one Formula: C20H30N3O5S+ MolecularWeight: 424.5343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC2=NC(=C[N+](C2=O)(CCCOC)COC)C)C)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC(=C1NC2=NC(=C[N+](C2=O)(CCCOC)COC)C)C)S(=O)(=O)C

InChI

InChI=1S/C20H30N3O5S/c1-14-10-17(29(6,25)26)11-15(2)18(14)22-19-20(24)23(13-28-5,8-7-9-27-4)12-16(3)21-19/h10-12H,7-9,13H2,1-6H3,(H,21,22)/q+1